N-(4-acetylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide

C24H23FN4O2 — CID 30866818

IUPACN-(4-acetylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)cc1
InChIInChI=1S/C24H23FN4O2/c1-16(30)17-4-8-21(9-5-17)26-24(31)19-12-14-29(15-13-19)23-11-10-22(27-28-23)18-2-6-20(25)7-3-18/h2-11,19H,12-15H2,1H3,(H,26,31)
InChIKeyJXXOVLNJSFUGOX-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.34
Rot. Bonds5

About N-(4-acetylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide

N-(4-acetylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 30866818) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID30866818
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC NameN-(4-acetylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)cc1
InChIInChI=1S/C24H23FN4O2/c1-16(30)17-4-8-21(9-5-17)26-24(31)19-12-14-29(15-13-19)23-11-10-22(27-28-23)18-2-6-20(25)7-3-18/h2-11,19H,12-15H2,1H3,(H,26,31)
InChIKeyJXXOVLNJSFUGOX-UHFFFAOYSA-N
XLogP4.34
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide (CID 30866818) is N-(4-acetylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide is CC(=O)c1ccc(NC(=O)C2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is JXXOVLNJSFUGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-16(30)17-4-8-21(9-5-17)26-24(31)19-12-14-29(15-13-19)23-11-10-22(27-28-23)18-2-6-20(25)7-3-18/h2-11,19H,12-15H2,1H3,(H,26,31).
What are the key properties of N-(4-acetylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide?
N-(4-acetylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 418.47 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 30866818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).